60706017 -OEChem-03192404062D 30 32 0 0 0 0 0 0 0999 V2000 9.7619 -1.7990 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 1.6038 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -0.0670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.0057 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7619 -0.0670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 0.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 0.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 0.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 0.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8445 1.0111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1542 1.4096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 -0.6039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.4190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9519 -1.4700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9519 1.3360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.0110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5719 1.3360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 3 6 1 0 0 0 0 3 10 1 0 0 0 0 3 23 1 0 0 0 0 4 7 2 0 0 0 0 4 9 1 0 0 0 0 5 20 3 0 0 0 0 6 7 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 8 9 1 0 0 0 0 8 11 2 0 0 0 0 9 12 2 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 11 15 1 0 0 0 0 11 24 1 0 0 0 0 12 16 1 0 0 0 0 12 25 1 0 0 0 0 13 17 1 0 0 0 0 13 26 1 0 0 0 0 14 18 2 0 0 0 0 14 27 1 0 0 0 0 15 16 2 0 0 0 0 15 28 1 0 0 0 0 16 29 1 0 0 0 0 17 19 2 0 0 0 0 18 19 1 0 0 0 0 18 30 1 0 0 0 0 19 20 1 0 0 0 0 M END > 60706017 > 1 > 383 > 4 > 1 > 3 > AAADccBzAABEAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgB9AAAHAYQAAAADArBXiQwwbLIEAi0ByRiRACj8KBhDzhImLw4ZpgI4KLhk5GUIAhgkADoyA8QgAAOCAAAAAIBAQAQAAAABAICAAAAAAAAAA== > 4-(1,3-benzothiazol-2-ylmethylamino)-2-chloro-benzonitrile > 4-(1,3-benzothiazol-2-ylmethylamino)-2-chlorobenzonitrile > 4-(1,3-benzothiazol-2-ylmethylamino)-2-chlorobenzonitrile > 4-(1,3-benzothiazol-2-ylmethylamino)-2-chlorobenzonitrile > 4-(1,3-benzothiazol-2-ylmethylamino)-2-chloranyl-benzenecarbonitrile > 4-(1,3-benzothiazol-2-ylmethylamino)-2-chloro-benzonitrile > InChI=1S/C15H10ClN3S/c16-12-7-11(6-5-10(12)8-17)18-9-15-19-13-3-1-2-4-14(13)20-15/h1-7,18H,9H2 > XLYNBWIIGDWCAT-UHFFFAOYSA-N > 4.2 > 299.0283962 > C15H10ClN3S > 299.8 > C1=CC=C2C(=C1)N=C(S2)CNC3=CC(=C(C=C3)C#N)Cl > C1=CC=C2C(=C1)N=C(S2)CNC3=CC(=C(C=C3)C#N)Cl > 77 > 299.0283962 > 0 > 20 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 13 8 10 14 8 11 15 8 12 16 8 13 17 8 14 18 8 15 16 8 17 19 8 18 19 8 2 7 8 2 8 8 4 7 8 4 9 8 8 11 8 8 9 8 9 12 8 $$$$